4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine

C13H19ClN4O — CID 93480988

IUPAC4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine
SMILESClc1cc(N2CCN(C[C@H]3CCCO3)CC2)ncn1
InChIInChI=1S/C13H19ClN4O/c14-12-8-13(16-10-15-12)18-5-3-17(4-6-18)9-11-2-1-7-19-11/h8,10-11H,1-7,9H2/t11-/m1/s1
InChIKeyLWMBZLVUCKIUIU-LLVKDONJSA-N
MW282.77 g/mol
LogP1.43
Rot. Bonds3

About 4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine

4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine (PubChem CID 93480988) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine
PubChem CID93480988
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine
SMILESClc1cc(N2CCN(C[C@H]3CCCO3)CC2)ncn1
InChIInChI=1S/C13H19ClN4O/c14-12-8-13(16-10-15-12)18-5-3-17(4-6-18)9-11-2-1-7-19-11/h8,10-11H,1-7,9H2/t11-/m1/s1
InChIKeyLWMBZLVUCKIUIU-LLVKDONJSA-N
XLogP1.43
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine
CID 43591958
16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11291813
N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 138033732
6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole
CID 148663738
4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine
CID 22309538
4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine
CID 121205984
(4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121054018
(3-chloro-4,5-dimethoxyphenyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 51151969
5-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99948728
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646
4-(6-chloropyrimidin-4-yl)-2-methylmorpholine
CID 61277750
3-(3-chlorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122337025

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine (CID 93480988) is 4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine is Clc1cc(N2CCN(C[C@H]3CCCO3)CC2)ncn1.
What is the InChIKey of 4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine?
The InChIKey is LWMBZLVUCKIUIU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19ClN4O/c14-12-8-13(16-10-15-12)18-5-3-17(4-6-18)9-11-2-1-7-19-11/h8,10-11H,1-7,9H2/t11-/m1/s1.
What are the key properties of 4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine?
4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine has a molecular weight of 282.77 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 93480988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).